Details of the Drug | DrugMAP

General Information of Drug (ID: DMHIUWX)

Drug Name	PMID28766366-Compound-Scheme1WO2011135259
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			320.3
	Logarithm of the Partition Coefficient (xlogp)			1.6
	Rotatable Bond Count (rotbonds)			2
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C18H16N4O2 IUPAC Name 1-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]piperidin-2-one Canonical SMILES C1CCN(C(=O)C1)C2=CC3=NC(=NC=C3N=C2)C4=CC=C(C=C4)O InChI InChI=1S/C18H16N4O2/c23-14-6-4-12(5-7-14)18-20-11-16-15(21-18)9-13(10-19-16)22-8-2-1-3-17(22)24/h4-7,9-11,23H,1-3,8H2 InChIKey GIUNPBXEXJKOFE-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 136335012 TTD ID D0X5MW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (DYRK1A)	TTSBVFO	DYR1A_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Dual-specificity tyrosine phosphorylation-regulated kinase 1A (DYRK1A) inhibitors: a survey of recent patent literature.Expert Opin Ther Pat. 2017 Nov;27(11):1183-1199.